Exact Mass: 190.9959542
Exact Mass Matches: 190.9959542
Found 417 metabolites which its exact mass value is equals to given mass value 190.9959542
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Nitrilotriacetic acid
D064449 - Sequestering Agents > D002614 - Chelating Agents
Clopyralid
C6H3Cl2NO2 (190.95408380000003)
CONFIDENCE standard compound; INTERNAL_ID 167; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2378; ORIGINAL_PRECURSOR_SCAN_NO 2375 CONFIDENCE standard compound; INTERNAL_ID 167; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2383; ORIGINAL_PRECURSOR_SCAN_NO 2379 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8451 INTERNAL_ID 8451; CONFIDENCE Reference Standard (Level 1)
Isosorbide Mononitrate
Isosorbide mononitrate (ISMN), sold under the names Imdur and Monoket, among others, is an organic nitrate used principally in the prophylactic treatment of angina pectoris (ischemic chest pain). ISMN is an active metabolite of isosorbide dinitrate and exerts qualitatively similar effects. Like other organic nitrates, ISMN acts as a prodrug for its active metabolite, nitric oxide, which mediates the therapeutic action of ISMN. Nitric oxide works on both arteries and veins, but predominantly veins. Nitric oxide functions by relaxing veins and reducing the central venous pressure, thereby causing venous pooling and a decrease in the venous return to the heart, thus decreasing cardiac preload (PMID: 31643263). The net effect when administering ISMN is therefore a reduced workload for the heart and an improvement in the oxygen supply/demand balance of the myocardium. ISMN is not subject to first pass metabolism in the human liver. Detectable metabolites include isosorbide, sorbitol, and 2-glucuronide of mononitrate, which are pharmacologically inactive (PMID: 1449102). Research on ISMN as a cervical ripener to reduce time at hospital to birth is supportive (PMID: 23983763). Isosorbide mononitrate is only found in individuals who have consumed or used this drug. C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases > C01DA - Organic nitrates C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
4,6-dichloropyrimidine-5-carboxamide
C5H3Cl2N3O (190.96531679999998)
p-Chlorobenzenesulfonamide
p-Chlorobenzenesulfonamide is a metabolite of chlorpropamide. Chlorpropamide is a drug in the sulfonylurea class used to treat type 2 diabetes mellitus. It is a long-acting 1st generation sulfonylurea. It has more side effects than other sulfonylureas and its use is no longer recommended. (Wikipedia)
gamma-Carboxyglutamic acid
Carboxyglutamic acid (or the conjugate base, carboxyglutamate), is an uncommon amino acid introduced into proteins by a post-translational carboxylation of glutamic acid residues. This modification is found, for example, in clotting factors and other proteins of the coagulation cascade. This modification introduces an affinity for calcium ions. In the blood coagulation cascade, Vitamin K is required to introduce gamma-carboxylation of clotting factors II, VII, IX, X and protein Z.
(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid
2-Amino-4,6-dichloropyrimidine-5-carbaldehyde
C5H3Cl2N3O (190.96531679999998)
Clopidol
C7H7Cl2NO (190.99046719999998)
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
O-Oxalylhomoserine
O-oxalylhomoserine is a member of the class of compounds known as alpha amino acids. Alpha amino acids are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). O-oxalylhomoserine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). O-oxalylhomoserine can be found in grass pea, which makes O-oxalylhomoserine a potential biomarker for the consumption of this food product.
2,3-dioxo-L-gulonate
2,3-dioxo-l-gulonate belongs to sugar acids and derivatives class of compounds. Those are compounds containing a saccharide unit which bears a carboxylic acid group. 2,3-dioxo-l-gulonate is soluble (in water) and a moderately acidic compound (based on its pKa). 2,3-dioxo-l-gulonate can be found in a number of food items such as gram bean, oriental wheat, agave, and horseradish, which makes 2,3-dioxo-l-gulonate a potential biomarker for the consumption of these food products.
2-carboxy-L-xylonolactone
2-carboxy-l-xylonolactone belongs to sugar acids and derivatives class of compounds. Those are compounds containing a saccharide unit which bears a carboxylic acid group. 2-carboxy-l-xylonolactone is soluble (in water) and a moderately acidic compound (based on its pKa). 2-carboxy-l-xylonolactone can be found in a number of food items such as apricot, mentha (mint), allspice, and hedge mustard, which makes 2-carboxy-l-xylonolactone a potential biomarker for the consumption of these food products.
Clopidol
C7H7Cl2NO (190.99046719999998)
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent CONFIDENCE standard compound; INTERNAL_ID 1183 CONFIDENCE standard compound; INTERNAL_ID 1083
2-Chlorobezenesulfonamide
CONFIDENCE standard compound; INTERNAL_ID 263; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4090; ORIGINAL_PRECURSOR_SCAN_NO 4087 CONFIDENCE standard compound; INTERNAL_ID 263; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4088; ORIGINAL_PRECURSOR_SCAN_NO 4083 CONFIDENCE standard compound; INTERNAL_ID 263; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4105; ORIGINAL_PRECURSOR_SCAN_NO 4103 INTERNAL_ID 263; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4105; ORIGINAL_PRECURSOR_SCAN_NO 4103 CONFIDENCE standard compound; INTERNAL_ID 263; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4095; ORIGINAL_PRECURSOR_SCAN_NO 4093 CONFIDENCE standard compound; INTERNAL_ID 263; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4178; ORIGINAL_PRECURSOR_SCAN_NO 4175 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3260
(Z)-2-(4-methoxyphenyl)ethenyl isothiocyanate|(Z)-coriandrin
6-(2-methylsulfanyl-ethyl)-[1,3]oxazinane-2-thione
4-Chlorobenzenesulfonamide
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3259
2,6-Pyridinedimethanol,3-hydroxy-, hydrochloride (1:1)
3-(Trimethylsilyl)-1,3-thiazolidine-2-thione
C6H13NS2Si (191.02586580000002)
sodium L-glutamate
D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents
4-CHLORO-2,6-DIMETHYLANILINE HYDROCHLORIDE
C8H11Cl2N (191.02685060000002)
4,5,6,7-TETRAHYDRO-1,3-THIAZOLO[5,4-C]PYRIDIN-2-YLAMINE HYDROCHLORIDE
Acetamide,2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-
(5,9-DIHYDRO-6,8-DIOXA-BENZOCYCLOHEPTEN-7-YLMETHYL)-ISOBUTYL-AMINE
C4H5N3O2S2 (190.98231900000002)
N-(2-chloro-5-fluoropyridin-4-yl)nitramide
C5H3ClFN3O2 (190.98978200000002)
1-(2-Chlorophenyl)ethanamine hydrochloride
C8H11Cl2N (191.02685060000002)
5-CHLORO-N,2-DIMETHYLANILINE HYDROCHLORIDE
C8H11Cl2N (191.02685060000002)
5-(Trifluoromethyl)pyridine-2-boronic acid
C6H5BF3NO2 (191.03654160000002)
Benzenemethanamine, 3-chloro-N-methyl-, hydrochloride
C8H11Cl2N (191.02685060000002)
2-chloro-5-fluoro-6-oxo-1H-pyridine-3-carboxylic acid
1H-Imidazole-4-carboxylicacid,2-(aminosulfonyl)-(9CI)
(S)-1-(3,5-dichloropyridin-4-yl)ethanol
C7H7Cl2NO (190.99046719999998)
3-chloro-2,6-dimethylaniline,hydrochloride
C8H11Cl2N (191.02685060000002)
4-(Trifluoromethyl)pyridine-2-boronic acid
C6H5BF3NO2 (191.03654160000002)
3-amino-5,6-dichloropyrazine-2-carbaldehyde
C5H3Cl2N3O (190.96531679999998)
2-(Chloromethyl)-3,5-dimethylpyridine hydrochloride
C8H11Cl2N (191.02685060000002)
2-(Trifluoromethyl)pyridine-4-boronic acid
C6H5BF3NO2 (191.03654160000002)
4-[(Aminooxy)methyl]-1,2-dichlorobenzene
C7H7Cl2NO (190.99046719999998)
2-(Trifluoromethyl)pyridine-3-boronic acid
C6H5BF3NO2 (191.03654160000002)
7-ANILINO-3-DIETHYLAMINO-6-METHYLFLUORAN
C6H4F3N3O (191.03064499999996)
6-(Trifluoromethyl)pyridine-2-boronic acid
C6H5BF3NO2 (191.03654160000002)
1-Chloro-6-formylisoquinoline, 1-Chloro-6-formyl-2-azanaphthalene
2-Hydroxy-5-trifluoromethyl-pyridine-3-carbaldehyde
8-oxo-7H-pyrido[2,3-d]pyridazine-5-carboxylic acid
(4-amino-3,5-dichlorophenyl)methanol
C7H7Cl2NO (190.99046719999998)
(S)-1-(2-Chlorophenyl)ethanamine hydrochloride
C8H11Cl2N (191.02685060000002)
4,5-dichloropyridine-3-carboxylic acid
C6H3Cl2NO2 (190.95408380000003)
N-(4,6-Dichloro-5-pyrimidinyl)formamide
C5H3Cl2N3O (190.96531679999998)
2-methylsulfanyl-5-nitro-1,3-thiazol-4-amine
C4H5N3O2S2 (190.98231900000002)
Pyridine,4-(3-chloropropyl)-, hydrochloride (1:1)
C8H11Cl2N (191.02685060000002)
Pyridine,3-(3-chloropropyl)-, hydrochloride (1:1)
C8H11Cl2N (191.02685060000002)
2-CHLORO-1-(4-PYRIDINYL)ETHANONE HYDROCHLORIDE
C7H7Cl2NO (190.99046719999998)
Ethanone,2-chloro-1-(3-pyridinyl)-, hydrochloride (1:1)
C7H7Cl2NO (190.99046719999998)
2,6-Dichloropyrimidine-4-carboxamide
C5H3Cl2N3O (190.96531679999998)
3,5-Dichloro-2-pyridinecarboxylic acid
C6H3Cl2NO2 (190.95408380000003)
4,6-dichloro-3-methoxy-2-methyl-pyridine
C7H7Cl2NO (190.99046719999998)
5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
deuterio 2-[bis(1,1-dideuterio-2-deuteriooxy-2-oxoethyl)amino]-2,2-dideuterioacetate
8-CHLORO-2,3-DIHYDROIMIDAZO[1,2-A]PYRAZINE HYDROCHLORIDE
2-Amino-4-(trifluoromethyl)pyrimidine-5-carbaldehyde
C6H4F3N3O (191.03064499999996)
Chlormethine hydrochloride
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D011042 - Poisons > D002619 - Chemical Warfare Agents D009676 - Noxae > D000477 - Alkylating Agents D009676 - Noxae > D007509 - Irritants
Pyrrolidine, 1-(bromoacetyl)- (6CI,9CI)
C6H10BrNO (190.99457099999998)
2,4-Dichloropyrimidine-5-carboxylic acid amide
C5H3Cl2N3O (190.96531679999998)
3,4-Dichloro-2-pyridinecarboxylic acid
C6H3Cl2NO2 (190.95408380000003)
5-Chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
Methyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate 1-oxide
4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDIN-2(3H)-ONE HYDROCHLORIDE
4-(Aminomethyl)-2,6-dichlorophenol
C7H7Cl2NO (190.99046719999998)
5,6,7,7a-Tetrahydrothieno[3,2-c]pyridine-2(4H)-one hydrochloride
5-[(2-methoxyethyl)thio]-1,3,4-thiadiazol-2-amine
C5H9N3OS2 (191.01870240000002)
2,6-Dichloro-3-hydroxyisonicotinaldehyde
C6H3Cl2NO2 (190.95408380000003)
(5-AMINO-2-FLUOROPHENYL)BORONIC ACID HYDROCHLORIDE
4-(4-methyl-3H-1,3-thiazol-2-ylidene)cyclohexa-2,5-dien-1-one
4-amino-2-(trifluoromethyl)pyrimidine-5-carbaldehyde
C6H4F3N3O (191.03064499999996)
2-(CHLOROMETHYL)-1H-BENZO[D]IMIDAZOLE-6-CARBONITRILE
2-(4-chlorophenyl)ethanamine,hydrochloride
C8H11Cl2N (191.02685060000002)
6-amino-2,4-dichloro-3-methylphenol
C7H7Cl2NO (190.99046719999998)
3,4-Dihydro-4-oxo-pyrido[3,4-d]pyriMidine-2-carboxylic acid
(R)-1-(3,5-dichloropyridin-4-yl)ethanol
C7H7Cl2NO (190.99046719999998)
5-(Trifluoromethyl)-3-pyridylboronic acid
C6H5BF3NO2 (191.03654160000002)
1-Propanamine,2,3-dichloro-N,N-dimethyl-, hydrochloride (1:1)
3-(DIFLUOROMETHYL)[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-AMINE
C4H3F2N5S (191.00772220000002)
2-Chloro-5-fluoro-3-nitropyridin-4-amine
C5H3ClFN3O2- (190.98978200000002)
2,2,2-trifluoro-N-pyrazin-2-ylacetamide
C6H4F3N3O (191.03064499999996)
(4-amino-3-fluorophenyl)boronic acid hydrochloride
N-Methyl-4-chlorobenzylamine Hydrochloride
C8H11Cl2N (191.02685060000002)
2-(Trifluoromethyl)pyrimidine-4-carBoxamide
C6H4F3N3O (191.03064499999996)
2-Trifluoromethyl-5-pyridineboric acid
C6H5BF3NO2 (191.03654160000002)
3,5-dichloropyrazine-2-carboxamide
C5H3Cl2N3O (190.96531679999998)
3-Chloro-N-(2-chloroethyl)-1-propanamine hydrochloride
2-methylpyridine-4-carbonyl chloride,hydrochloride
C7H7Cl2NO (190.99046719999998)
(6R-TRANS)-7-AMINO-8-OXO-3-(((1-(SULPHOMETHYL)-1H-TETRAZOL-5-YL)THIO)METHYL)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLICACID
(3-amino-2,6-dichlorophenyl)methanol
C7H7Cl2NO (190.99046719999998)
O-[(2,4-dichlorophenyl)methyl]hydroxylamine
C7H7Cl2NO (190.99046719999998)
2-CHLOROMETHYL-IMIDAZO[1,2-A]PYRIDINE-6-CARBONITRILE
3-AMINO-4-FLUOROBENZOIC ACID HYDROCHLORIDE
C7H7ClFNO2 (191.01493240000002)
4-Pyridazinecarboxamide,3,6-dichloro-
C5H3Cl2N3O (190.96531679999998)
3-chloro-N,2-dimethylaniline,hydrochloride
C8H11Cl2N (191.02685060000002)
(R)-1-(3-CHLOROPHENYL)ETHANAMINE-HCl
C8H11Cl2N (191.02685060000002)
2,4-Thiazolidinedicarboxylic acid, 2-methyl-, (4R)-
2,5-Didehydro-D-gluconate
Conjugate base of 2,5-didehydro-D-gluconic acid.
3-Carboxy-2-(carboxymethyl)-2-hydroxypropanoate
A citrate(1-) that is the conjugate acid of 2-(carboxymethyl)-2-hydroxysuccinate.
Noreugenin(1-)
A phenolate anion obtained by deprotonation of the 7-hydroxy group of noreugenin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
3,4-Dicarboxy-3-hydroxybutanoate
A citrate(1-) that is the conjugate acid of 2-(carboxymethyl)-2-hydroxysuccinate.
4,7-Dihydroxy-5-methylcoumarin(1-)
An organic anion that is the conjugate base of 4,7-dihydroxy-5-methylcoumarin, obtained by deprotonation of the 4-hydroxy group. It is the major microspecies at pH 7.3.
(4R,5S)-2,4-dihydroxy-5-(hydroxymethyl)-3-oxooxolane-2-carboxylate
Isosorbide Mononitrate
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases > C01DA - Organic nitrates C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
NITRILOTRIACETIC ACID
D064449 - Sequestering Agents > D002614 - Chelating Agents
gamma-carboxy-L-glutamic acid
A non-proteinogenic L-alpha-amino acid that is L-glutamic acid in which one of the gamma-hydrogens is substituted by a carboxy group.
D-galactaro-1,5-lactone(1-)
A carbohydrate acid anion that is the conjugate base of D-galactaro-1,5-lactone, obtained by deprotonation of the carboxy group; major species at pH 7.3.
N-carboxy-L-methionine(2-)
An N-acyl-L-alpha-amino acid anion derived from N-carboxy-L-methionine(2-) by removal of a proton from each of the carboxy groups. Major species at pH 7.3.
indole-5,6-quinone-2-carboxylic acid
An indoledione that is 1H-indole-5,6-dione substituted by a carboxy group at position 2.
gamma-carboxy-L-glutamic acid zwitterion
An amino acid zwitterion obtained from gamma-carboxy-L-glutamic acid by transfer of a proton from the alpha-carboxy group to the amino group.
2,3-Diketogulonate
A dioxo monocarboxylic acid anion that is the conjugate base of 2,3-diketogulonic acid, and the major species at pH 7.3.
3-Nitrocoumarin
3-Nitrocoumarin (3-NC) is a potent and selective Phospholipase C-γ (PLC-γ) inhibitor[1].